Match comparison for Hartree energy (match type 3414)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 2.955485500000000e-01 | 3.000000000000000e-05 | 2.955576954838710e-01 | 2.456701001962227e-07 | 2.955572600000000e-01 | 5.000000000143778e-07 | PASS |
Checks for this match
- GPU builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: 0.29554855, precision: 0.00003| Run | Value | Difference | Relative difference | Status |
| foss_min_autotools: [foss2023a-serial] | 2.955577600000000e-01 | 9.209999999981733e-06 | 3.069999999993911e-01 | PASS |
| foss_min_autotools: [foss2022a-serial] | 2.955577600000000e-01 | 9.209999999981733e-06 | 3.069999999993911e-01 | PASS |
| foss_opt_autotools: [foss2023a-serial] | 2.955577600000000e-01 | 9.209999999981733e-06 | 3.069999999993911e-01 | PASS |
| foss_min_autotools: [foss2023b-serial] | 2.955577600000000e-01 | 9.209999999981733e-06 | 3.069999999993911e-01 | PASS |
| foss_autotools: [foss2022a-serial] | 2.955577600000000e-01 | 9.209999999981733e-06 | 3.069999999993911e-01 | PASS |
| foss_autotools: [foss2023b-serial] | 2.955577600000000e-01 | 9.209999999981733e-06 | 3.069999999993911e-01 | PASS |
| intel_autotools: [intel2023a-serial] | 2.955577600000000e-01 | 9.209999999981733e-06 | 3.069999999993911e-01 | PASS |
| foss_autotools: [foss2023a-serial] | 2.955577600000000e-01 | 9.209999999981733e-06 | 3.069999999993911e-01 | PASS |
| foss_omp_autotools: [foss2023a-serial] | 2.955577600000000e-01 | 9.209999999981733e-06 | 3.069999999993911e-01 | PASS |
| intel_omp_autotools: [intel2022a-serial] | 2.955577600000000e-01 | 9.209999999981733e-06 | 3.069999999993911e-01 | PASS |
| foss_debug_autotools: [foss2023a-serial] | 2.955577600000000e-01 | 9.209999999981733e-06 | 3.069999999993911e-01 | PASS |
| intel_omp_autotools: [intel2023a-serial] | 2.955577600000000e-01 | 9.209999999981733e-06 | 3.069999999993911e-01 | PASS |
| foss_mpi_min_autotools: [foss2022a-mpi] | 2.955577600000000e-01 | 9.209999999981733e-06 | 3.069999999993911e-01 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | 2.955577600000000e-01 | 9.209999999981733e-06 | 3.069999999993911e-01 | PASS |
| foss_mpi_autotools: [foss2023a-mpi] | 2.955577600000000e-01 | 9.209999999981733e-06 | 3.069999999993911e-01 | PASS |
| foss_mpi_autotools: [foss2022a-mpi] | 2.955577600000000e-01 | 9.209999999981733e-06 | 3.069999999993911e-01 | PASS |
| foss_mpi_debug_autotools: [foss2023a-mpi] | 2.955577600000000e-01 | 9.209999999981733e-06 | 3.069999999993911e-01 | PASS |
| foss_mpi_opt_autotools: [foss2023a-mpi] | 2.955577600000000e-01 | 9.209999999981733e-06 | 3.069999999993911e-01 | PASS |
| foss-cmake: [foss2022a-serial, foss-min] | 2.955577600000000e-01 | 9.209999999981733e-06 | 3.069999999993911e-01 | PASS |
| foss-cmake: [foss2022a-serial, foss-full] | 2.955577600000000e-01 | 9.209999999981733e-06 | 3.069999999993911e-01 | PASS |
| foss_mpi_min_autotools: [foss2023a-mpi] | 2.955577600000000e-01 | 9.209999999981733e-06 | 3.069999999993911e-01 | PASS |
| foss-cmake: [foss2022a-mpi, foss-min-mpi] | 2.955577600000000e-01 | 9.209999999981733e-06 | 3.069999999993911e-01 | PASS |
| foss-cmake: [foss2023a-mpi, foss-full-mpi] | 2.955577600000000e-01 | 9.209999999981733e-06 | 3.069999999993911e-01 | PASS |
| foss-cmake: [foss2022a-mpi, foss-full-mpi] | 2.955577600000000e-01 | 9.209999999981733e-06 | 3.069999999993911e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | 2.955577600000000e-01 | 9.209999999981733e-06 | 3.069999999993911e-01 | PASS |
| foss_mpi_omp_autotools: [foss2023a-mpi] | 2.955577600000000e-01 | 9.209999999981733e-06 | 3.069999999993911e-01 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | 2.955577600000000e-01 | 9.209999999981733e-06 | 3.069999999993911e-01 | PASS |
| foss_valgrind_autotools: [foss2023a-serial] | 2.955577600000000e-01 | 9.209999999981733e-06 | 3.069999999993911e-01 | PASS |
| foss-cmake: [foss2023a-mpi, foss-min-mpi] | 2.955577600000000e-01 | 9.209999999981733e-06 | 3.069999999993911e-01 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | 2.955567600000000e-01 | 8.209999999952977e-06 | 2.736666666650993e-01 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | 2.955567600000000e-01 | 8.209999999952977e-06 | 2.736666666650993e-01 | PASS |